CID 155487643

N-(3-chloro-2-methoxyphenyl)-2,4-dioxopiperidine-3-carbothioamide

Structural Information

Molecular Formula
C13H13ClN2O3S
SMILES
COC1=C(C=CC=C1Cl)NC(=S)C2C(=O)CCNC2=O
InChI
InChI=1S/C13H13ClN2O3S/c1-19-11-7(14)3-2-4-8(11)16-13(20)10-9(17)5-6-15-12(10)18/h2-4,10H,5-6H2,1H3,(H,15,18)(H,16,20)
InChIKey
OCRYACWKKCLQOJ-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methoxyphenyl)-2,4-dioxopiperidine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.03354 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.040816 166.5
[M+Na]+ 335.022758 173.8
[M-H]- 311.026264 170.5
[M+NH4]+ 330.067363 180.3
[M+K]+ 350.996698 167.6
[M+H-H2O]+ 295.030800 160.2
[M+HCOO]- 357.031741 175.6
[M+CH3COO]- 371.047391 201.4
[M+Na-2H]- 333.008206 165.5
[M]+ 312.03299142 166.4
[M]- 312.03408858 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.